castep-cell-io 0.6.0

I/O library for CASTEP .cell and .param file formats
Documentation
pub mod band_structure;
pub mod band_structure_params;
pub mod basis_set;
pub mod basis_set_params;
pub mod density_mixing;
pub mod density_mixing_params;
pub mod efield;
pub mod electric_field_params;
pub mod electronic;
pub mod electronic_excitations;
pub mod electronic_excitations_params;
pub mod electronic_minimisation;
pub mod electronic_minimisation_params;
pub mod electronic_params;
pub mod exchange_correlation;
pub mod exchange_correlation_params;
pub mod general;
pub mod general_params;
pub mod geometry_optimization;
pub mod geometry_optimization_params;
pub mod molecular_dynamics;
pub mod molecular_dynamics_params;
pub mod nmr;
pub mod nmr_params;
pub mod optics;
pub mod optics_params;
pub mod phonon;
pub mod phonon_params;
pub mod population_analysis;
pub mod population_analysis_params;
pub mod pseudopotential;
pub mod pseudopotential_params;
pub mod solvation;
pub mod solvation_params;
pub mod transition_state;
pub mod transition_state_params;

pub use general_params::GeneralParams;
pub use optics_params::OpticsParams;
pub use nmr_params::NmrParams;
pub use electronic_params::ElectronicParams;
pub use geometry_optimization_params::GeometryOptimizationParams;
pub use molecular_dynamics_params::MolecularDynamicsParams;
pub use density_mixing_params::DensityMixingParams;
pub use phonon_params::PhononParams;
pub use basis_set_params::BasisSetParams;
pub use band_structure_params::BandStructureParams;
pub use exchange_correlation_params::ExchangeCorrelationParams;
pub use electronic_minimisation_params::ElectronicMinimisationParams;
pub use electric_field_params::ElectricFieldParams;
pub use pseudopotential_params::PseudopotentialParams;
pub use population_analysis_params::PopulationAnalysisParams;
pub use solvation_params::SolvationParams;
pub use electronic_excitations_params::ElectronicExcitationsParams;
pub use transition_state_params::TransitionStateParams;